SCHEMBL7054904

SCHEMBL7054904

CCCc1cn(CC)c(C(N)=O)c1NC(=O)c1cc(S(=O)(=O)N2CCNCC2N2CCN(CCO)CC2)ccc1OCC

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 16/20 0.39
KMT2A Q03164 2/20 0.35
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
PDE1A P54750 5/20 0.34
PDE1B Q01064 5/20 0.34
PDE1C Q14123 5/20 0.34
MEN1 O00255 1/20 0.33
POLB P06746 2/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7057287 0.95 KMT2A (0.39) PDE5AKMT2APDE3BPDE3APDE1A
SCHEMBL7053105 0.94 PDE5A (0.34) PDE5AKMT2APDE3BPDE3APDE1A
SCHEMBL7050993 0.93 KMT2A (0.34) PDE5AKMT2AMEN1POLB
SCHEMBL7057371 0.90 PDE5A (0.32) PDE5AKMT2AMEN1POLB
SCHEMBL7049975 0.90 PDE5A (0.39) PDE5A
SCHEMBL7050684 0.90 KMT2A (0.34) PDE5AKMT2AMEN1POLB
SCHEMBL7053059 0.89 KMT2A (0.38) PDE5AKMT2AMEN1POLB
SCHEMBL7053379 0.89 PDE5A (0.36) PDE5AKMT2AMEN1POLB
SCHEMBL6641825 0.87 PDE5A (0.48) PDE5AKMT2APDE3BPDE3APDE1A
SCHEMBL7053061 0.86 PDE5A (0.35) PDE5A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030171361-A1 Pyrrolopyrimidinone derivatives, process of preparation and use SK CHEMICALS CO., LTD. (KR) 2003-09-11 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030171361-A1 Pyrrolopyrimidinone derivatives, process of preparation and use CYP2C19, DHPS, SDHA PDE5A 686/4885KMT2A 4373/4885PDE3B 601/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.